N-phenylbenzimidazole-1-carboxamide

C14H11N3O — CID 13125705

IUPACN-phenylbenzimidazole-1-carboxamide
SMILESO=C(Nc1ccccc1)n1cnc2ccccc21
InChIInChI=1S/C14H11N3O/c18-14(16-11-6-2-1-3-7-11)17-10-15-12-8-4-5-9-13(12)17/h1-10H,(H,16,18)
InChIKeyAPKKAHUAOVXXMX-UHFFFAOYSA-N
MW237.26 g/mol
LogP3.12
Rot. Bonds1

About N-phenylbenzimidazole-1-carboxamide

N-phenylbenzimidazole-1-carboxamide (PubChem CID 13125705) has the molecular formula C14H11N3O and a molecular weight of 237.26 g/mol. Its IUPAC name is N-phenylbenzimidazole-1-carboxamide.

Molecular Properties

Compound NameN-phenylbenzimidazole-1-carboxamide
PubChem CID13125705
Molecular FormulaC14H11N3O
Molecular Weight237.26 g/mol
Exact Mass237.09
IUPAC NameN-phenylbenzimidazole-1-carboxamide
SMILESO=C(Nc1ccccc1)n1cnc2ccccc21
InChIInChI=1S/C14H11N3O/c18-14(16-11-6-2-1-3-7-11)17-10-15-12-8-4-5-9-13(12)17/h1-10H,(H,16,18)
InChIKeyAPKKAHUAOVXXMX-UHFFFAOYSA-N
XLogP3.12
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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N-(4,4,4-trifluorobutyl)benzimidazole-1-carboxamide
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1-(benzimidazol-1-yl)-2,3-diphenylprop-2-en-1-one
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1-(benzimidazol-1-yl)-3-phenylpropan-1-one
CID 4630006
benzimidazol-1-ylcarbamic acid
CID 21218422
1-(benzimidazol-1-yl)-2-[[2-(benzimidazol-1-yl)-2-oxoethyl]sulfanylmethylsulfanyl]ethanone
CID 3845970
6-oxo-N-phenylpyrimidine-1-carboxamide
CID 164798852
bromomethyl benzimidazole-1-carboxylate
CID 135347541
5-(benzimidazol-1-yl)-2,2,3,3,4,4-hexafluoro-5-oxopentanoic acid
CID 164747509
benzimidazol-1-yl-(4-methylphenyl)methanone
CID 710618
2-(2-oxoquinoxalin-1-yl)-N-phenylacetamide
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1-(benzimidazol-1-yl)-2-phenyl-2-phenylsulfanylethanone
CID 3323269

Frequently Asked Questions

What is the IUPAC name of N-phenylbenzimidazole-1-carboxamide?
The IUPAC name of N-phenylbenzimidazole-1-carboxamide (CID 13125705) is N-phenylbenzimidazole-1-carboxamide.
What is the SMILES notation for N-phenylbenzimidazole-1-carboxamide?
The canonical SMILES for N-phenylbenzimidazole-1-carboxamide is O=C(Nc1ccccc1)n1cnc2ccccc21.
What is the InChIKey of N-phenylbenzimidazole-1-carboxamide?
The InChIKey is APKKAHUAOVXXMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O/c18-14(16-11-6-2-1-3-7-11)17-10-15-12-8-4-5-9-13(12)17/h1-10H,(H,16,18).
What are the key properties of N-phenylbenzimidazole-1-carboxamide?
N-phenylbenzimidazole-1-carboxamide has a molecular weight of 237.26 g/mol, XLogP of 3.12, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenylbenzimidazole-1-carboxamide is sourced from PubChem (CID 13125705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).